6-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]pyridazin-3-amine

C18H14F3N3O2 — CID 6623882

IUPAC6-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]pyridazin-3-amine
SMILESCOc1ccc(-c2ccc(Nc3ccc(OC(F)(F)F)cc3)nn2)cc1
InChIInChI=1S/C18H14F3N3O2/c1-25-14-6-2-12(3-7-14)16-10-11-17(24-23-16)22-13-4-8-15(9-5-13)26-18(19,20)21/h2-11H,1H3,(H,22,24)
InChIKeyVNHXLEUUSACTOH-UHFFFAOYSA-N
MW361.32 g/mol
LogP4.79
Rot. Bonds5

About 6-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]pyridazin-3-amine

6-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]pyridazin-3-amine (PubChem CID 6623882) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]pyridazin-3-amine
PubChem CID6623882
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Name6-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]pyridazin-3-amine
SMILESCOc1ccc(-c2ccc(Nc3ccc(OC(F)(F)F)cc3)nn2)cc1
InChIInChI=1S/C18H14F3N3O2/c1-25-14-6-2-12(3-7-14)16-10-11-17(24-23-16)22-13-4-8-15(9-5-13)26-18(19,20)21/h2-11H,1H3,(H,22,24)
InChIKeyVNHXLEUUSACTOH-UHFFFAOYSA-N
XLogP4.79
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]pyridazin-3-amine?
The IUPAC name of 6-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]pyridazin-3-amine (CID 6623882) is 6-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]pyridazin-3-amine.
What is the SMILES notation for 6-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]pyridazin-3-amine?
The canonical SMILES for 6-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]pyridazin-3-amine is COc1ccc(-c2ccc(Nc3ccc(OC(F)(F)F)cc3)nn2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]pyridazin-3-amine?
The InChIKey is VNHXLEUUSACTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c1-25-14-6-2-12(3-7-14)16-10-11-17(24-23-16)22-13-4-8-15(9-5-13)26-18(19,20)21/h2-11H,1H3,(H,22,24).
What are the key properties of 6-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]pyridazin-3-amine?
6-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]pyridazin-3-amine has a molecular weight of 361.32 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]pyridazin-3-amine is sourced from PubChem (CID 6623882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).